4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=11.855311540920159 stress="-0.3937259032328746 0.01804522200173642 -0.04809201225548664 0.01804522200173642 -0.439306212645487 0.12658637622446547 -0.04809201225548664 0.12658637622446547 -0.4568200662890062" free_energy=11.855311540920159 pbc="T T F" N 0.13250256 0.10031152 0.05442580 5.40564414 8.01701697 -5.05386180 N 1.35431870 1.28011711 0.13572127 -6.42295989 -5.62440630 -3.00543074 N 1.55791531 2.73387496 1.58501927 -2.27707035 -11.16180761 5.02209646 N 0.06603388 1.50693356 1.66501753 3.29438611 8.76919694 3.03719608